CID 5274876

2-pyridinecarboxamide,n-(3-chlorophenyl)-3-hydroxy-

Structural Information

Molecular Formula
C12H9ClN2O2
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)C2=C(C=CC=N2)O
InChI
InChI=1S/C12H9ClN2O2/c13-8-3-1-4-9(7-8)15-12(17)11-10(16)5-2-6-14-11/h1-7,16H,(H,15,17)
InChIKey
HOCFAQVMBPABNH-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-3-hydroxypyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

248.03525 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04253 151.0
[M+Na]+ 271.02447 159.8
[M-H]- 247.02797 155.5
[M+NH4]+ 266.06907 166.8
[M+K]+ 286.99841 154.5
[M+H-H2O]+ 231.03251 144.0
[M+HCOO]- 293.03345 169.4
[M+CH3COO]- 307.04910 190.5
[M+Na-2H]- 269.00992 157.1
[M]+ 248.03470 151.8
[M]- 248.03580 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe